EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

3-buten-2-ol
methyl vinyl carbinol

Supplier Sponsors

CAS Number: 598-32-3Picture of molecule3D/inchi
Other(deleted CASRN):6118-14-5
ECHA EINECS - REACH Pre-Reg:209-929-8
FDA UNII: Search
Nikkaji Web:J513D
Beilstein Number:1361410
MDL:MFCD00004543
XlogP3-AA:0.60 (est)
Molecular Weight:72.10696000
Formula:C4 H8 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
CAS Number: 33447-72-2Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J63.893E
XlogP3-AA:0.60 (est)
Molecular Weight:72.10696000
Formula:C4 H8 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
CAS Number: 598-32-3 (S)Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J63.892G
XlogP3-AA:0.60 (est)
Molecular Weight:72.10696000
Formula:C4 H8 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
DG SANTE Food Flavourings:02.131 but-3-en-2-ol
DG SANTE Food Contact Materials:but-3-en-2-ol
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83100 to 0.83700 @ 25.00 °C.
Pounds per Gallon - (est).: 6.915 to 6.965
Refractive Index:1.40900 to 1.41500 @ 20.00 °C.
Boiling Point: 90.00 °C. @ 760.00 mm Hg
Vapor Pressure:24.377001 mmHg @ 25.00 °C. (est)
Flash Point: 62.00 °F. TCC ( 16.67 °C. )
logP (o/w): 0.481 (est)
Soluble in:
 alcohol
 water, 1.259e+005 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-BUTEN-2-OL 95%
Penta International
3-BUTEN-2-OL
Santa Cruz Biotechnology
For experimental / research use only.
3-Buten-2-ol
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Buten-2-ol 97%
TCI AMERICA
For experimental / research use only.
1-buten-3-ol >97.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 11 - Highly flammable.
R 20 - Harmful by inhalation.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-human TCLo 50 ppm
SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE SENSE ORGANS AND SPECIAL SENSES: TUMORS: OLFACTION
Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946.

 
Safety in Use Information:
Category:
flavoring agents
Recommendation for 3-buten-2-ol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Scientific Opinion on Flavouring Group Evaluation 205 (FGE.205): Consideration of genotoxicity data on representatives for 13 a,ß-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19 by EFSA
View page or View pdf

Scientific opinion of Flavouring Group Evaluation 205 Revision 1 (FGE.205Rev1): consideration of genotoxicity data on representatives for 13 a,ß-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):598-32-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11716
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1987
WGK Germany:3
but-3-en-2-ol
Chemidplus:0000598323
RTECS:EM9275050 for cas# 598-32-3
(2R)-but-3-en-2-ol
(2S)-but-3-en-2-ol
 
References:
 but-3-en-2-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:598-32-3
Pubchem (cid):11716
Pubchem (sid):134975987
 (2R)-but-3-en-2-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:33447-72-2
Pubchem (cid):6995534
Pubchem (sid):43597649
 (2S)-but-3-en-2-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:598-32-3
Pubchem (cid):6999790
Pubchem (sid):43601416
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Indirect Additives used in Food Contact Substances:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.29.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 citrus fruits
Search PMC Picture
 
Synonyms:
 but-3-en-2-ol
(±)-3-buten-2-ol
1-buten-3-ol
3-butene-2-ol
3-hydroxy-1-butene
1-methyl allyl alcohol
alpha-methyl allyl alcohol
 methyl vinyl carbinol
1-methyl-2-propenol
2-methyl-2-propenol
 vinylethyl alcohol
 
 
Notes:
None found
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