Heptanal, 2-benzylidene-

Modify Date: 2024-01-06 15:07:03

Heptanal, 2-benzylidene- Structure
Heptanal, 2-benzylidene- structure
Common Name Heptanal, 2-benzylidene-
CAS Number 122-40-7 Molecular Weight 202.292
Density 1.0±0.1 g/cm3 Boiling Point 288.5±0.0 °C at 760 mmHg
Molecular Formula C14H18O Melting Point N/A
MSDS Chinese USA Flash Point 131.1±14.6 °C
Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning

 Use of Heptanal, 2-benzylidene-


alpha-Amyl cinnamaldehyde is a common additive in perfume and cosmetic industry as aroma substance. It is found naturally in the essential oil of chamomile.

 Names

Name Amylcinnamaldehyde
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 288.5±0.0 °C at 760 mmHg
Molecular Formula C14H18O
Molecular Weight 202.292
Flash Point 131.1±14.6 °C
Exact Mass 202.135757
PSA 17.07000
LogP 4.80
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.534

 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
: α-Amylcinnamaldehyde
Product name
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No.: 122-40-7
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Skin sensitisation (Category 1), H317
Chronic aquatic toxicity (Category 2), H411
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi IrritantR43
N Dangerous for theR51/53
environment
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordWarning
Hazard statement(s)
H317May cause an allergic skin reaction.
H411Toxic to aquatic life with long lasting effects.
Precautionary statement(s)
P273Avoid release to the environment.
P280Wear protective gloves.
Supplemental Hazardnone
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Formula: C14H18O
Molecular Weight: 202,29 g/mol
CAS-No.: 122-40-7
EC-No.: 204-541-5
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
α-Amylcinnamaldehyde
CAS-No.122-40-7Skin Sens. 1; Aquatic Chronic<= 100 %
EC-No.204-541-52; H317, H411
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
α-Amylcinnamaldehyde
CAS-No.122-40-7Xi, N, R43 - R51/53<= 100 %
EC-No.204-541-5
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Recommended storage temperature: 2 - 8 °C
Air sensitive.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
the environment must be avoided.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: viscous
Colour: yellow
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: < 0 °C
point
f) Initial boiling point and 287 - 290 °C - lit.
boiling range
g) Flash point146 °C
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressure0,1 hPa at 50 °C
l) Vapour densityno data available
m) Relative density0,97 g/cm3 at 25 °C
n) Water solubilityca.8,6 g/l
o) Partition coefficient: n- log Pow: 4,7
octanol/water
p) Auto-ignition231 °C
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong bases, Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
LD50 Oral - rat - 3.730 mg/kg
Remarks: Sense Organs and Special Senses (Nose, Eye, Ear, and Taste):Olfaction:Other changes. Sense
Organs and Special Senses (Nose, Eye, Ear, and Taste):Eye:Other. Behavioral:Somnolence (general
depressed activity).
Inhalation: no data available
LD50 Dermal - rabbit - > 2.000 mg/kg
Skin corrosion/irritation
Skin - Human
Result: No skin irritation
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
Result: Not mutagenic in Ames Test.
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: GD6825000
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

SECTION 12: Ecological information
Toxicity
Toxicity to fishLC50 - Danio rerio (zebra fish) - 3 mg/l - 96 h
(OECD Test Guideline 203)
Toxicity to daphnia and EC50 - Daphnia magna (Water flea) - 1,1 mg/l - 48 h
other aquatic
invertebrates
Toxicity to algaeEC50 - Algae - 1,89 mg/l - 72 h
Persistence and degradability
BiodegradabilityResult: - Readily biodegradable.
(OECD Test Guideline 301B)
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
Toxic to aquatic life with long lasting effects.

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: 3082IMDG: 3082IATA: 3082
UN proper shipping name
ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (α-Amylcinnamaldehyde)
ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (α-Amylcinnamaldehyde)
IMDG:
Environmentally hazardous substance, liquid, n.o.s. (α-Amylcinnamaldehyde)
IATA:
Transport hazard class(es)
ADR/RID: 9IMDG: 9IATA: 9
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: yesIMDG Marine pollutant: yesIATA: yes
Special precautions for user
Further information
EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination
packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids.



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GD6825000
CHEMICAL NAME :
Cinnamaldehyde, alpha-pentyl-
CAS REGISTRY NUMBER :
122-40-7
BEILSTEIN REFERENCE NO. :
0511292
LAST UPDATED :
199712
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C14-H18-O
MOLECULAR WEIGHT :
202.32
WISWESSER LINE NOTATION :
VHY5&U1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 94(8),41,1979
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
REFERENCE :
ADVEA4 Acta Dermato-Venereologica. (Almqvist & Wiksell, POB 45150, S-10430 Stockholm, Sweden) V.1- 1920- Volume(issue)/page/year: 58,121,1978
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
REFERENCE :
CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 94(8),41,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3730 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - somnolence (general depressed activity)
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1835 No. of Facilities: 6963 (estimated) No. of Industries: 22 No. of Occupations: 31 No. of Employees: 79408 (estimated) No. of Female Employees: 47945 (estimated)

 Safety Information

Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning
Hazard Statements H317-H411
Precautionary Statements P273-P280
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi:Irritant
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
RIDADR UN 3082 9 / PGIII
WGK Germany 2
RTECS GD6825000
HS Code 2912299000

 Synthetic Route

~87%

Heptanal, 2-benzylidene- Structure

Heptanal, 2-ben...

CAS#:122-40-7

Literature: Vermoortele, Frederik; Ameloot, Rob; Vimont, Alexandre; Serre, Christian; De Vos, Dirk Chemical Communications, 2011 , vol. 47, # 5 p. 1521 - 1523

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Heptanal, 2-benzylidene- Structure

Heptanal, 2-ben...

CAS#:122-40-7

Literature: Organic Letters, , vol. 12, # 5 p. 948 - 951

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Heptanal, 2-benzylidene- Structure

Heptanal, 2-ben...

CAS#:122-40-7

Literature: Applied Catalysis A: General, , vol. 466, p. 38 - 44

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Heptanal, 2-benzylidene- Structure

Heptanal, 2-ben...

CAS#:122-40-7

Detail
Literature: Applied Catalysis A: General, , vol. 466, p. 38 - 44

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Heptanal, 2-benzylidene- Structure

Heptanal, 2-ben...

CAS#:122-40-7

Literature: Journal fuer Praktische Chemie (Leipzig), , vol. <2> 119, p. 274 Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, , vol. 60, p. 927

 Customs

HS Code 2912299000
Summary 2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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 Synonyms

2-Benzylideneheptanal
Amyl cinnamal
FEMA 2061
Heptanal, 2-(phenylmethylene)-, (2E)-
α-Amylcinnamaldehyde
2-Amyl-3-phenylacrylaldehyde
JASMINAL
Heptanal, 2-benzylidene-
EINECS 204-541-5
(2E)-2-(phenylmethylidene)heptanal
Cinnamaldehyde, α-pentyl-
Heptanal, 2-(phenylmethylene)
Heptanal, 2-(phenylmethylene)-
α-Pentylcinnamaldehyde
Jasminealde-hyde
α-Amylcinnamic aldehyde
Flomine
2-(Phenylmethylene)heptanal
2-Amyl-3-phenyl-2-propenal
Jasminaldehyde
MFCD00006988
2-(Phenylmethylene)-heptanal
(2E)-2-Benzylideneheptanal
Heptanal, 2- (phenylmethylene)-
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