Basic information
- CAS
1504-55-8- Standard SMILES
CC(=Cc1ccccc1)CO- InChIKey
LLNAMUJRIZIXHF-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- 2-Methyl-3-phenyl-2-propen-1-ol
- IUPAC
- 2-methyl-3-phenylprop-2-en-1-ol
- English name
- 2-Methyl-3-phenyl-2-propen-1-ol
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
1504-55-82-Methyl-3-phenyl-2-propen-1-ol2-Propen-1-ol, 2-methyl-3-phenyl-DTXSID1061738RefChem:478649DTXCID30348762-methyl-3-phenyl-2-propenol2-methyl-3-phenyl-prop-2-en-1-olalpha-methyl cinnamyl alcoholSCHEMBL295402orb3028078SCHEMBL3470164
Show more names
2-Methyl-3-phenylprop-2-en-1-ol(E)-2-Methyl-3-phenylprop-2-en-1-olMETHYLSTYRYLCARBINOL2-methyl-3-phenyl-2-methylcinnamicalcohol2-Benzylidene-1-propanolα-Methylcinnamyl alcohola-Methylcinnamyl Alcohol(2E)-3-Phenyl-2-buten-1-olalpha-methyl-cinnamylalcoho
LLNAMUJRIZIXHF-UHFFFAOYSA-N3-Phenyl-2-methyl-2-propen-1-olAKOS026730688F9800896681-14-7
Database identifiers
- CAS
1504-55-8- PubChem CID
- 560879
- DTXSID
DTXSID1061738- EC Number
- 216-128-7
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Melting point
- 24 · 24-25 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 77 °C0.1 · 77 °C0.1 mm Hg(lit.)
- Density
- 1.03 g/mL · 1.03 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.572(lit.)
- Flash point
- 230 °F · >230 °F
- solubility
- Almost insoluble in water, soluble in alcohol and oils.
- pka
- 14 · 14+-.0.10(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- Odor
- 100 % · at 100.00 %. sweet balsam floral oriental styrax
- Odor Type
- balsamic
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C10H12O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3/b9-7+
- InChIKey
- LLNAMUJRIZIXHF-VQHVLOKHSA-N
- SMILES
- [H]\C(=C(\C)CO)c1ccccc1
- LogP
- 1.929 · 1.929 (est)
- FDA UNII
- 7 JPK3PRD9 · E7JPK3PRD9
- EPA Substance Registry System
- 2 · 2-Propen-1-ol, 2-methyl-3-phenyl- (1504-55-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 2 · 2
- RTECS
- 2340000 · GE2340000
- TSCA
- TSCA listed
- HS Code
- 2906290090 · 2906290090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 in · The acute oral LD50 in rats was reported as 2.4 ml/kg (1.9-3.0 ml/kg) (Levenstein, 1974). The acute dermal LD50 in rabbits exceeded 5 g/kg (Levenstein, 1974).
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 13.8% (22 of 159) of reports.
Warning
H315 (85.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (32.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (24.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 159 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 22 of 159 reports by companies.；There are 6 notifications provided by 137 of 159 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 2-Propen-1-ol, 2-methyl-3-phenyl-
2-Propen-1-ol, 2-methyl-3-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 2-Propen-1-ol, 2-methyl-3-phenyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (85.5%)；Eye Irrit. 2 (32.1%)；STOT SE 3 (24.5%)
Regulatory information
Regulatory Information
Chemical: 2-Propen-1-ol, 2-methyl-3-phenyl-
2-Propen-1-ol, 2-methyl-3-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GE2340000
- hs_code
- 2906290090
- Toxicity
- The acute oral LD50 in rats was reported as 2.4 ml/kg (1.9-3.0 ml/kg) (Levenstein, 1974). The acute dermal LD50 in rabbits exceeded 5 g/kg (Levenstein, 1974).
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information2-Propen-1-ol, 2-methyl-3-phenyl-: ACTIVE
Applications
OccurrenceHas apparently not been reported to occur in nature
Usestrans-2-Methyl-3-phenyl-2-propen-1-ol was used in the preparation of 5-methyl-4-phenyl-5-hexen-2-one.
Preparation methods
PreparationBy selective hydrogenation of methylcinnamic aldehyde
Suppliers52 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Aladdin Scientific[email protected]
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Related reactions
6 records
Compound notes
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