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heptyl valerate

Chemical Structure

General Material Information

Preferred name heptyl valerate
Trivial Name Heptyl pentanoate
Short Description valeric acid, heptyl ester
Formula C12 H24 O2
CAS Number 5451-80-9
ECHA Number 226-686-3
FDA UNII LR3J9VC6SC
Nikkaji Number J210.501B
COE Number 10672
NMR Predictor External link
Synonyms
  • heptyl pentanoate
  • heptyl-valerate
  • pentanoic acid heptyl ester
  • pentanoic acid, heptyl ester
  • valeric acid heptyl ester
  • valeric acid, heptyl ester
  • 39840N
  • ENT 30517
  • NSC 21862

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.60.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 200.32168579102
Vapor Pressure 0.035 mmHg @ 25 °C
Flash Point TCC Value 98.89 °C TCC
logP (o/w) 4.861 est
Solubility
alcohol Yes
water, 3.517 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, apple green apple
General comment At 100.00 %. fruity

Occurrences

Potential Uses

Applications
Odor purposes Fruit

Safety Information

Safety information

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:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for heptyl valerate usage levels up to:
6.0000 % in the fragrance concentrate.
Recommendation for heptyl valerate flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):5451-80-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :79544
National Institute of Allergy and Infectious Diseases:Data
heptyl pentanoate
Chemidplus:0005451809